CID 43811066

1073354-96-7

Structural Information

Molecular Formula
C11H16BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)Cl)N
InChI
InChI=1S/C11H16BClN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-8(14)9(13)15-6-7/h5-6H,14H2,1-4H3
InChIKey
OTPWQANCPKJXBK-UHFFFAOYSA-N
Compound name
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

254.09933 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10661 151.8
[M+Na]+ 277.08855 162.8
[M-H]- 253.09205 159.0
[M+NH4]+ 272.13315 171.8
[M+K]+ 293.06249 161.1
[M+H-H2O]+ 237.09659 147.2
[M+HCOO]- 299.09753 167.9
[M+CH3COO]- 313.11318 194.8
[M+Na-2H]- 275.07400 156.9
[M]+ 254.09878 155.3
[M]- 254.09988 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe